| SpectraBase Compound ID | ByODC2vkbUt |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-17-16-31(35,19(3)18(2)26(33)34)36-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32,35H,9-16H2,1-8H3,(H,33,34)/t17-,18?,19+,20-,23+,24-,25-,28-,29+,30+,31?/m1/s1 |
| InChIKey | PEJVRURWUPBFOY-GJUIAEAKSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjRjFbOmVF4 |
|---|---|
| Name | 3-ALPHA-OXEPANOQUERCINIC-ACID-C;12-BETA,23-EPOXY-3-ALPHA,23-DIHYDROXY-24-METHYLLANOST-8-EN-26-OIC-ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-17-16-31(35,19(3)18(2)26(33)34)36-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32,35H,9-16H2,1-8H3,(H,33,34)/t17-,18?,19+,20-,23+,24-,25-,28-,29+,30+,31?/m1/s1 |
| InChIKey | PEJVRURWUPBFOY-GJUIAEAKSA-N |
| Literature Reference Author | J.ROESECKE,W.A.KOENIG |
| Literature Reference Citation | PHYTOCHEM.,54,757(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00130-8 |
| Molecular Weight | 502.735 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1453 |